1-(2-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine

C18H22FNO — CID 60955260

IUPAC1-(2-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1cccc(CNC(C)c2ccccc2F)c1
InChIInChI=1S/C18H22FNO/c1-3-11-21-16-8-6-7-15(12-16)13-20-14(2)17-9-4-5-10-18(17)19/h4-10,12,14,20H,3,11,13H2,1-2H3
InChIKeyRQPIBMRMDJLOIZ-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.47
Rot. Bonds7

About 1-(2-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine

1-(2-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine (PubChem CID 60955260) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
PubChem CID60955260
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name1-(2-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1cccc(CNC(C)c2ccccc2F)c1
InChIInChI=1S/C18H22FNO/c1-3-11-21-16-8-6-7-15(12-16)13-20-14(2)17-9-4-5-10-18(17)19/h4-10,12,14,20H,3,11,13H2,1-2H3
InChIKeyRQPIBMRMDJLOIZ-UHFFFAOYSA-N
XLogP4.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-(2-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 81363781
1-(2-fluorophenyl)-N-[(4-propoxyphenyl)methyl]ethanamine
CID 60659012
2-[3-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenoxy]acetonitrile
CID 81363735
1-(3-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60956086
1-(4-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60958113
(1R)-1-(4-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 81347368
2-fluoro-N-[(3-propoxyphenyl)methyl]aniline
CID 39360348
(1R)-1-(furan-2-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 81403687
1-(4-bromophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60955137
(1R)-1-(2,4-difluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 41061626
N-[(3-fluoro-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 63646240
1-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 103878320

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine?
The IUPAC name of 1-(2-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine (CID 60955260) is 1-(2-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-(2-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine is CCCOc1cccc(CNC(C)c2ccccc2F)c1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine?
The InChIKey is RQPIBMRMDJLOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-3-11-21-16-8-6-7-15(12-16)13-20-14(2)17-9-4-5-10-18(17)19/h4-10,12,14,20H,3,11,13H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine?
1-(2-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine has a molecular weight of 287.38 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 60955260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).